[[2-[2,2-bis[(2-nitrophenyl)methylsulfanyl]ethyl]-2-methyl-4-oxidanylidene-azetidin-3-yl]-nitro-methyl] 2-phenylethaneperoxoate

Systemtic Name: [[2-[2,2-bis[(2-nitrophenyl)methylsulfanyl]ethyl]-2-methyl-4-oxidanylidene-azetidin-3-yl]-nitro-methyl] 2-phenylethaneperoxoate Openeye Name: [[2-[2,2-bis[(2-nitrophenyl)methylsulfanyl]ethyl]-2-methyl-4-oxo-azetidin-3-yl]-nitro-methyl] 2-phenylperoxyacetate CAS Name: 2-phenylethaneperoxoic acid [[2-[2,2-bis[(2-nitrophenyl)methylthio]ethyl]-2-methyl-4-oxo-3-azetidinyl]-nitromethyl] ester IUPAC Name: [[2-[2,2-bis[(2-nitrophenyl)methylsulfanyl]ethyl]-2-methyl-4-oxoazetidin-3-yl]-nitromethyl] 2-phenylethaneperoxoate Traditional Name: 2-phenylperacetic acid [[2-[2,2-bis[(2-nitrobenzyl)thio]ethyl]-4-keto-2-methyl-azetidin-3-yl]-nitro-methyl] ester Formula: C29H28N4O10S2 MolecularWeight: 656.68342

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)N1)C([N+](=O)[O-])OOC(=O)CC2=CC=CC=C2)CC(SCC3=CC=CC=C3[N+](=O)[O-])SCC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1(C(C(=O)N1)C([N+](=O)[O-])OOC(=O)CC2=CC=CC=C2)CC(SCC3=CC=CC=C3[N+](=O)[O-])SCC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C29H28N4O10S2/c1-29(26(27(35)30-29)28(33(40)41)43-42-24(34)15-19-9-3-2-4-10-19)16-25(44-17-20-11-5-7-13-22(20)31(36)37)45-18-21-12-6-8-14-23(21)32(38)39/h2-14,25-26,28H,15-18H2,1H3,(H,30,35)